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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256003
CHEMBL1256003
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H14N2

Additional synonyms for CHEMBL1256003 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H]1CN2CCC1CC2
Standard InChI InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0 ...
Download InChI
Standard InChI Key REUAXQZIRFXQML-ZETCQYMHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1256003

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
126.2 126.1157 0.04 0 29.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.58 1.03 -2.42 0 9 0.5

Structural Alerts

There are no structural alerts for CHEMBL1256003

Compound Cross References

ChemSpider ChemSpider:REUAXQZIRFXQML-ZETCQYMHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256003



BindingDB 50417098
eMolecules 645845
IBM Patent System 6AA63A80409E8429EE7D24AE4A6B439A
Nikkaji J1.678.171A
NMRShiftDB 20198924
PubChem 719215
PubChem: Thomson Pharma 16032017
SureChEMBL SCHEMBL427062
ZINC ZINC000019202664

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/REUAXQZIRFXQML-ZETCQYMHSA-N spacer
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